CAS 39624-97-0 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole (HCID 2763291)

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Basic information

CAS: 39624-97-0
Standard SMILES: CC(C)c1nc(CCl)co1
InChIKey: OPCOPSQQXAHCMD-UHFFFAOYSA-N
Molecular formula: C7H10ClNO
Average molar mass: 159.61 g/mol
Monoisotopic mass: 159.04509162

Names & identifiers

Preferred name: 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole
IUPAC: 4-(chloromethyl)-2-propan-2-yl-1,3-oxazole
English name: 4-Chloromethyl-2-isopropyloxazole
Molecular formula: C7H10ClNO
Molecular weight: 159.61

Names & synonyms

4-(CHLOROMETHYL)-2-(PROPAN-2-YL)-1,3-OXAZOLERefChem:515569864-087-44-(Chloromethyl)-2-isopropyloxazole39624-97-04-(chloromethyl)-2-isopropyl-1,3-oxazole4-Chloromethyl-2-isopropyloxazole4-(chloromethyl)-2-propan-2-yl-1,3-oxazoleMFCD077873904-chloromethyl-2-isopropyl oxazoleOxazole, 4-(chloromethyl)-2-(1-methylethyl)-SCHEMBL209893

Show more names

4-(chloromethyl)-2-(1-methylethyl)Oxazole4-(Chloromethyl)-2-(prop-2-yl)-1,3-oxazole

Chloromethyl-2-isopropyloxazoleDTXSID80376876OPCOPSQQXAHCMD-UHFFFAOYSA-NPBA624974-(chloromethyl)-2-isopropyl-oxazoleAKOS005255410AB42970AT18627

Database identifiers

CAS: 39624-97-0
PubChem CID: 2763291
DTXSID: DTXSID80376876
EC Number: 864-087-4

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 26 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Boiling point: 204.4 · 204.4±15.0 °C(Predicted)
Density: 1.114 · 1.114±0.06 g/cm3(Predicted)
pka: 1.13 · 1.13±0.36(Predicted)
form: liquid
color: Clear, colourless
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H335-H314
Precautionary statements: 260 · P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
Hazard Codes: Xi
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2934999090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
Hazard statements: H302-H335-H314
Precautionary statements: P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501